1-(9H-carbazol-3-yl)-4-methylpentan-1-amine

C18H22N2 — CID 43096739

IUPAC1-(9H-carbazol-3-yl)-4-methylpentan-1-amine
SMILESCC(C)CCC(N)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C18H22N2/c1-12(2)7-9-16(19)13-8-10-18-15(11-13)14-5-3-4-6-17(14)20-18/h3-6,8,10-12,16,20H,7,9,19H2,1-2H3
InChIKeyCTDSKHOWJRFWSM-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.76
Rot. Bonds4

About 1-(9H-carbazol-3-yl)-4-methylpentan-1-amine

1-(9H-carbazol-3-yl)-4-methylpentan-1-amine (PubChem CID 43096739) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(9H-carbazol-3-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(9H-carbazol-3-yl)-4-methylpentan-1-amine
PubChem CID43096739
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-(9H-carbazol-3-yl)-4-methylpentan-1-amine
SMILESCC(C)CCC(N)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C18H22N2/c1-12(2)7-9-16(19)13-8-10-18-15(11-13)14-5-3-4-6-17(14)20-18/h3-6,8,10-12,16,20H,7,9,19H2,1-2H3
InChIKeyCTDSKHOWJRFWSM-UHFFFAOYSA-N
XLogP4.76
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-3-yl)-4-methylpentan-1-amine?
The IUPAC name of 1-(9H-carbazol-3-yl)-4-methylpentan-1-amine (CID 43096739) is 1-(9H-carbazol-3-yl)-4-methylpentan-1-amine.
What is the SMILES notation for 1-(9H-carbazol-3-yl)-4-methylpentan-1-amine?
The canonical SMILES for 1-(9H-carbazol-3-yl)-4-methylpentan-1-amine is CC(C)CCC(N)c1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 1-(9H-carbazol-3-yl)-4-methylpentan-1-amine?
The InChIKey is CTDSKHOWJRFWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-12(2)7-9-16(19)13-8-10-18-15(11-13)14-5-3-4-6-17(14)20-18/h3-6,8,10-12,16,20H,7,9,19H2,1-2H3.
What are the key properties of 1-(9H-carbazol-3-yl)-4-methylpentan-1-amine?
1-(9H-carbazol-3-yl)-4-methylpentan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-3-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 43096739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).